6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide

C29H30N6O — CID 44540140

IUPAC6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
SMILESCC1(C)CCN(Cc2cccc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC1
InChIInChI=1S/C29H30N6O/c1-29(2)10-13-35(14-11-29)18-20-5-3-8-25(32-20)28(36)33-26-15-19(16-27-23(26)17-31-34-27)21-6-4-7-24-22(21)9-12-30-24/h3-9,12,15-17,30H,10-11,13-14,18H2,1-2H3,(H,31,34)(H,33,36)
InChIKeyJBVPDLBHOFNCFQ-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.98
Rot. Bonds5

About 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide

6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide (PubChem CID 44540140) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
PubChem CID44540140
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC Name6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
SMILESCC1(C)CCN(Cc2cccc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC1
InChIInChI=1S/C29H30N6O/c1-29(2)10-13-35(14-11-29)18-20-5-3-8-25(32-20)28(36)33-26-15-19(16-27-23(26)17-31-34-27)21-6-4-7-24-22(21)9-12-30-24/h3-9,12,15-17,30H,10-11,13-14,18H2,1-2H3,(H,31,34)(H,33,36)
InChIKeyJBVPDLBHOFNCFQ-UHFFFAOYSA-N
XLogP5.98
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide (CID 44540140) is 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide is CC1(C)CCN(Cc2cccc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC1.
What is the InChIKey of 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The InChIKey is JBVPDLBHOFNCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-29(2)10-13-35(14-11-29)18-20-5-3-8-25(32-20)28(36)33-26-15-19(16-27-23(26)17-31-34-27)21-6-4-7-24-22(21)9-12-30-24/h3-9,12,15-17,30H,10-11,13-14,18H2,1-2H3,(H,31,34)(H,33,36).
What are the key properties of 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 5.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 44540140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).